- InChI
- InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
- InChI Key
- DUFGYCAXVIUXIP-UHFFFAOYSA-N
- Formula
- C4H4N2O2
- SMILES
- Oc1cc(O)ncn1
- Molecular Weight1
- 112.09
- CAS
- 1193-24-4
- Other Names
-
- 4(3H)-Pyrimidinone, 6-hydroxy-
- 4,6-Dihydroxypyrimidine
- 4,6-Pyrimidinediol
- 6-Hydroxy-4(1H)-pyrimidinone
- 6-hydroxy-1H-pyrimidin-4-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6330 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -264.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.112 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 7656.87 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 531.29 | K | Relay (1.0) Calculated Property |
| Tc | 796.80 | K | Relay (1.0) Calculated Property |
| Tfus | 550.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.251 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4(1H)-Pyrimidinone, 6-hydroxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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